2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine

C13H20N2 — CID 84778035

IUPAC2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
SMILESCC(CN)c1cccc2c1CN(C)CC2
InChIInChI=1S/C13H20N2/c1-10(8-14)12-5-3-4-11-6-7-15(2)9-13(11)12/h3-5,10H,6-9,14H2,1-2H3
InChIKeyYPUULCCXGYELDR-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.74
Rot. Bonds2

About 2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine

2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine (PubChem CID 84778035) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
PubChem CID84778035
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
SMILESCC(CN)c1cccc2c1CN(C)CC2
InChIInChI=1S/C13H20N2/c1-10(8-14)12-5-3-4-11-6-7-15(2)9-13(11)12/h3-5,10H,6-9,14H2,1-2H3
InChIKeyYPUULCCXGYELDR-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine?
The IUPAC name of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine (CID 84778035) is 2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine.
What is the SMILES notation for 2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine?
The canonical SMILES for 2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine is CC(CN)c1cccc2c1CN(C)CC2.
What is the InChIKey of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine?
The InChIKey is YPUULCCXGYELDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(8-14)12-5-3-4-11-6-7-15(2)9-13(11)12/h3-5,10H,6-9,14H2,1-2H3.
What are the key properties of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine?
2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine is sourced from PubChem (CID 84778035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).